fragmenstein/demo/mpro_mols/Mpro-x10476.mol
RDKit 3D
17 19 0 0 0 0 0 0 0 0999 V2000
9.6050 1.0450 21.1260 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1400 0.0620 21.7010 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8370 -0.5860 22.8650 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9010 -1.5980 22.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2350 -0.8840 22.7310 C 0 0 2 0 0 0 0 0 0 0 0 0
13.3860 -1.0190 21.7900 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4320 -1.6750 23.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9740 0.4890 23.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4940 0.4350 23.8140 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9800 -0.5270 21.3510 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1470 -0.0680 20.3090 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8870 0.4750 20.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4000 0.6040 22.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5590 -0.0960 18.9750 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8150 0.3780 17.9670 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6170 0.8890 18.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1200 0.9520 19.5630 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
3 2 1 6
4 3 1 0
5 4 1 6
6 5 1 0
7 6 1 0
7 5 1 0
8 5 1 0
9 3 1 0
9 8 1 0
10 2 1 0
11 10 1 0
12 11 2 0
13 12 1 0
14 11 1 0
15 14 2 0
16 15 1 0
17 16 2 0
17 12 1 0
M END